SCHEMBL6969932

SCHEMBL6969932

O=[C]c1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
SLC6A3 Q01959 1/20 0.53
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
JAK2 O60674 1/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TOP1 P11387 1/20 0.47
F2 P00734 1/20 0.47
PARP1 P09874 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10379860 0.94 KMT2A (0.52) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL15789874 0.84 SLC6A3 (0.56) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL6567956 0.84 KMT2A (0.58) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL725404 0.82 KMT2A (0.76) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Bromide SCHEMBL29588519 0.80 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Hydrochloric Acid SCHEMBL16050041 0.80 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL28459942 0.78 TDP1 (0.46) KMT2AMAPTSMN1; SMN2SLC6A3GAA
SCHEMBL3497886 0.77 HSD17B10 (0.63) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL11443998 0.77 SLC6A3 (0.60) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL744605 0.77 PTGS2 (0.53) ESR1HSD17B10LMNATSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666261-B1 Thiazine or thiomorpholine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 1997-05-07 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed